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#25-PERACETILATED;N-ACETYL-N-[3-THIO-(2-ACETAMIDOETHYL)]-PROPYL-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-GALACTOPYRANOSYL)-(1->3)-(3,4,6-TRI-O-ACETYL-BETA-D-GALACTOPYRA
SpectraBase Compound ID KzqoMZfSGN3
InChI InChI=1S/C45H66N2O26S/c1-20(48)47(14-12-15-74-16-13-46)43-40(66-28(9)56)37(64-26(7)54)36(31(69-43)17-59-21(2)49)72-44-42(68-30(11)58)39(35(63-25(6)53)33(70-44)19-61-23(4)51)73-45-41(67-29(10)57)38(65-27(8)55)34(62-24(5)52)32(71-45)18-60-22(3)50/h31-45H,12-19,46H2,1-11H3/t31-,32-,33-,34+,35+,36-,37+,38+,39+,40-,41-,42-,43-,44+,45-/m1/s1
InChIKey ARBARFRARXQECY-IXPFRZAPSA-N
Mol Weight 1083.1 g/mol
Molecular Formula C45H66N2O26S
Exact Mass 1082.362451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Byk20O0mD77
Name #25-PERACETILATED;N-ACETYL-N-[3-THIO-(2-ACETAMIDOETHYL)]-PROPYL-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-GALACTOPYRANOSYL)-(1->3)-(3,4,6-TRI-O-ACETYL-BETA-D-GALACTOPYRA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H66N2O26S
InChI InChI=1S/C45H66N2O26S/c1-20(48)47(14-12-15-74-16-13-46)43-40(66-28(9)56)37(64-26(7)54)36(31(69-43)17-59-21(2)49)72-44-42(68-30(11)58)39(35(63-25(6)53)33(70-44)19-61-23(4)51)73-45-41(67-29(10)57)38(65-27(8)55)34(62-24(5)52)32(71-45)18-60-22(3)50/h31-45H,12-19,46H2,1-11H3/t31-,32-,33-,34+,35+,36-,37+,38+,39+,40-,41-,42-,43-,44+,45-/m1/s1
InChIKey ARBARFRARXQECY-IXPFRZAPSA-N
Literature Reference Author D.RAMOS,P.ROLLIN,W.KLAFFKE
Literature Reference Citation J.ORG.CHEM.,66,2948(2001)
Literature Reference DOI 10.1021/jo001439c
Molecular Weight 1083.077 g/mol
Solvent CDCl3
Source File Reference UWVN26235